3-amino-N'-(2-methoxyacetyl)propanehydrazide

C6H13N3O3 — CID 91181082

IUPAC3-amino-N'-(2-methoxyacetyl)propanehydrazide
SMILESCOCC(=O)NNC(=O)CCN
InChIInChI=1S/C6H13N3O3/c1-12-4-6(11)9-8-5(10)2-3-7/h2-4,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyDCSWURCQECDUEK-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.87
Rot. Bonds4

About 3-amino-N'-(2-methoxyacetyl)propanehydrazide

3-amino-N'-(2-methoxyacetyl)propanehydrazide (PubChem CID 91181082) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-amino-N'-(2-methoxyacetyl)propanehydrazide.

Molecular Properties

Compound Name3-amino-N'-(2-methoxyacetyl)propanehydrazide
PubChem CID91181082
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name3-amino-N'-(2-methoxyacetyl)propanehydrazide
SMILESCOCC(=O)NNC(=O)CCN
InChIInChI=1S/C6H13N3O3/c1-12-4-6(11)9-8-5(10)2-3-7/h2-4,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyDCSWURCQECDUEK-UHFFFAOYSA-N
XLogP-1.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-(2-methoxyacetyl)propanehydrazide?
The IUPAC name of 3-amino-N'-(2-methoxyacetyl)propanehydrazide (CID 91181082) is 3-amino-N'-(2-methoxyacetyl)propanehydrazide.
What is the SMILES notation for 3-amino-N'-(2-methoxyacetyl)propanehydrazide?
The canonical SMILES for 3-amino-N'-(2-methoxyacetyl)propanehydrazide is COCC(=O)NNC(=O)CCN.
What is the InChIKey of 3-amino-N'-(2-methoxyacetyl)propanehydrazide?
The InChIKey is DCSWURCQECDUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-12-4-6(11)9-8-5(10)2-3-7/h2-4,7H2,1H3,(H,8,10)(H,9,11).
What are the key properties of 3-amino-N'-(2-methoxyacetyl)propanehydrazide?
3-amino-N'-(2-methoxyacetyl)propanehydrazide has a molecular weight of 175.19 g/mol, XLogP of -1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-(2-methoxyacetyl)propanehydrazide is sourced from PubChem (CID 91181082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).